Information card for entry 7053564

Structure parameters

• Formula: C39 H41 N3 O18 Zn3
• Calculated formula: C39 H35 N3 O18 Zn3
• Title of publication: Synthesis, crystal structures, luminescent and thermal properties of two new metal‒organic coordination polymers based on zinc(ii) carboxylates
• Authors of publication: Sapchenko, Sergey A.; Dybtsev, Danil N.; Samsonenko, Denis G.; Fedin, Vladimir P.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2445
• a: 33.1453 ± 0.0016 Å
• b: 9.5959 ± 0.0004 Å
• c: 18.495 ± 0.0008 Å
• α: 90°
• β: 90.467 ± 0.001°
• γ: 90°
• Cell volume: 5882.3 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1093
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.2438
• Weighted residual factors for all reflections included in the refinement: 0.255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No